SCHEMBL2728619

SCHEMBL2728619

COc1cccc(Nc2nc(SC)nc(Cl)c2C#N)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.60
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA7 P43166 2/20 0.55
CA13 Q8N1Q1 2/20 0.55
RXFP1 Q9HBX9 3/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.50
SYK P43405 1/20 0.45
CDK1 P06493 1/20 0.44
KDR P35968 1/20 0.44
THRB P10828 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
DCUN1D1 Q96GG9 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PLK1 P53350 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13859331 0.88 CA1 (0.57) KDM4ECA1CA2CA7CA13
SCHEMBL2729885 0.85 RXFP1 (0.70) KDM4ECA1CA2CA7CA13
SCHEMBL3277717 0.83 CA1 (0.68) KDM4ECA1CA2CA7CA13
SCHEMBL21069948 0.81 CA1 (0.48) KDM4ECA1CA2CA7CA13
SCHEMBL2716692 0.80 RXFP1 (0.55) KDM4ECA1CA2CA7CA13
SCHEMBL2729802 0.79 KDM4E (0.52) KDM4ECA1CA2RXFP1LMNA
SCHEMBL4420483 0.78 RXFP1 (0.61) RXFP1LMNAMAPTADORA2AADORA1
SCHEMBL2728689 0.76 RXFP1 (0.67) KDM4ECA1CA2CA7CA13
SCHEMBL2717013 0.76 CA1 (0.69) KDM4ECA1CA2CA7CA13
SCHEMBL10272205 0.76 CA1 (0.56) CA1CA2CA7CA13RXFP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012061415-A1 OXYPYRIMIDINES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 WO disclosed